1,10-Decanedithiol(1191-67-9) MS
Product Name1,10-Decanedithiol
CAS1191-67-9
Molecular FormulaC10H22S2
Molecular Weight206.41
InChIInChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
InChIKey UOQACRNTVQWTFF-UHFFFAOYSA-N
SmilesC(S)CCCCCCCCCS
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MassMS-NW-3798 1,10-decanedithiol C10H22S2 (Mass of molecular ion: 206)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.1 27.0 17.4 28.0 2.5 29.0 21.0 34.0 2.3 35.0 4.7 39.0 14.5 40.0 2.6 41.0 70.9 42.0 11.6 43.0 26.0 44.0 1.4 45.0 9.0 46.0 3.6 47.0 42.1 48.0 1.5 49.0 2.1 53.0 6.4 54.0 30.5 55.0 100.0 56.0 13.2 57.0 17.2 58.0 1.2 59.0 4.2 60.0 20.9 61.0 25.8 62.0 2.1 63.0 1.4 65.0 1.1 66.0 4.5 67.0 51.3 68.0 46.1 69.0 51.5 70.0 7.1 71.0 6.9 73.0 5.3 74.0 6.1 75.0 2.8 79.0 1.8 80.0 1.2 81.0 34.4 82.0 34.1 83.0 29.8 84.0 3.4 85.0 4.1 86.0 1.4 87.0 96.1 88.0 15.4 89.0 29.4 90.0 2.1 91.0 1.7 95.0 25.3 96.0 13.7 97.0 11.6 98.0 1.3 100.0 1.1 101.0 74.2 102.0 8.9 103.0 7.6 104.0 1.0 109.0 7.5 110.0 6.5 111.0 1.6 115.0 27.5 116.0 3.3 117.0 2.5 129.0 20.3 130.0 2.1 131.0 1.4 138.0 1.7 143.0 8.7 144.0 1.1 157.0 1.2 171.0 26.5 172.0 10.0 173.0 8.9 174.0 1.6 206.0 18.0 207.0 2.5 208.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H22 S2 0.04 ml : 0.5 ml CDCl3 1,10-decanedithiol 
Assign. Shift(ppm)
A 2.516 B 1.60 C 1.324 D 1.46 to 1.26
Hz ppm Int.236.94 2.646 65 236.06 2.636 65 229.38 2.562 228 222.63 2.486 268 214.88 2.400 125 150.94 1.686 68 150.38 1.680 68 148.38 1.657 58 148.00 1.653 57 143.50 1.603 113 142.69 1.594 108 141.75 1.583 112 138.81 1.550 96 136.88 1.529 110 134.56 1.503 85 130.88 1.462 123 128.00 1.430 147 125.81 1.405 464 123.44 1.379 126 118.31 1.322 696 115.00 1.285 1000 110.50 1.234 328
in CDCl3
liquid film
